N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide

C16H18FNO2S — CID 102684363

IUPACN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(CCO)C2CCC2)sc2cccc(F)c12
InChIInChI=1S/C16H18FNO2S/c1-10-14-12(17)6-3-7-13(14)21-15(10)16(20)18(8-9-19)11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-9H2,1H3
InChIKeyINBKUCHKRXHSAT-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.34
Rot. Bonds4

About N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide

N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 102684363) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID102684363
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)N(CCO)C2CCC2)sc2cccc(F)c12
InChIInChI=1S/C16H18FNO2S/c1-10-14-12(17)6-3-7-13(14)21-15(10)16(20)18(8-9-19)11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-9H2,1H3
InChIKeyINBKUCHKRXHSAT-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
3-amino-N-cyclopropyl-N-ethyl-4-fluoro-1-benzothiophene-2-carboxamide
CID 79511065
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
4-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-methylamino]butanoic acid
CID 43359947
3-chloro-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 102684482
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N',N',3-trimethyl-1-benzothiophene-2-carbohydrazide
CID 40817445
[2-(cyclopentylamino)-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 9062074
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 35809689

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 102684363) is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)N(CCO)C2CCC2)sc2cccc(F)c12.
What is the InChIKey of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is INBKUCHKRXHSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-10-14-12(17)6-3-7-13(14)21-15(10)16(20)18(8-9-19)11-4-2-5-11/h3,6-7,11,19H,2,4-5,8-9H2,1H3.
What are the key properties of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide?
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 102684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).